@MOLECULE (2r,3s,4r,5s,6s)-4,5-dihydroxy-3-methoxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1~2,6~.0~7,28~.0~8,13~.0~15,19~.0~20,27~.0~21,26~]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one 58 65 0 0 0 SMALL MULLIKEN_CHARGES @ATOM 1 C -2.0159 0.9928 -0.9977 C.3 1 UNL1 0.4517 2 N -1.5209 -0.3269 -0.5978 N.ar 1 UNL1 -0.3967 3 N 1.0915 1.5230 -0.4776 N.ar 1 UNL1 -0.3986 4 C -0.0203 2.4217 -0.7257 C.3 1 UNL1 0.2896 5 C -2.6916 1.7221 0.2117 C.3 1 UNL1 0.0048 6 C -0.5559 2.9795 0.6192 C.3 1 UNL1 0.0198 7 C -1.6273 2.0785 1.2585 C.3 1 UNL1 0.0533 8 C -3.6663 -1.6985 -0.5643 C.ar 1 UNL1 -0.2100 9 C 3.0787 3.0901 -0.5042 C.ar 1 UNL1 -0.2611 10 C 4.5724 0.7194 0.0443 C.ar 1 UNL1 -0.0488 11 C -1.9281 -3.8749 0.0133 C.ar 1 UNL1 -0.0983 12 C 5.1956 1.9552 -0.0771 C.ar 1 UNL1 -0.2242 13 C -4.1537 -2.9851 -0.3809 C.ar 1 UNL1 -0.1121 14 C -3.2995 -4.0625 -0.1021 C.ar 1 UNL1 -0.1970 15 C 4.4582 3.1190 -0.3474 C.ar 1 UNL1 -0.0764 16 C -2.9608 0.9058 -2.2032 C.3 1 UNL1 -0.4802 17 C -4.6667 1.3083 1.4623 C.3 1 UNL1 -0.1949 18 H 3.5679 -4.7463 0.8803 H 1 UNL1 0.3207 19 H -1.8070 4.4812 0.9088 H 1 UNL1 0.3422 20 H -1.8194 2.8401 3.0834 H 1 UNL1 0.3280 21 O 4.6717 -2.3734 0.6135 O.2 1 UNL1 -0.5278 22 C 1.5524 -4.0297 0.4805 C.3 1 UNL1 -0.0603 23 O -1.0993 4.2331 0.2669 O.3 1 UNL1 -0.5436 24 O -2.2950 2.8689 2.2278 O.3 1 UNL1 -0.5598 25 O -3.5897 0.7624 0.7193 O.3 1 UNL1 -0.3668 26 C 3.5009 -2.6486 0.5017 C.2 1 UNL1 0.6223 27 C 2.3250 -1.7973 0.1926 C.ar 1 UNL1 -0.1681 28 C 1.1741 -2.6005 0.1779 C.ar 1 UNL1 0.0249 29 N 3.0169 -3.9489 0.6691 N.am 1 UNL1 -0.6249 30 C 2.2441 -0.4336 -0.0483 C.ar 1 UNL1 0.0325 31 C -0.0747 -2.0627 -0.0853 C.ar 1 UNL1 -0.0972 32 C -2.2871 -1.5029 -0.4666 C.ar 1 UNL1 0.1841 33 C 2.4500 1.8488 -0.3860 C.ar 1 UNL1 0.1916 34 C 3.1913 0.6518 -0.1078 C.ar 1 UNL1 -0.1073 35 C -1.4103 -2.5963 -0.1610 C.ar 1 UNL1 -0.0807 36 O -0.9597 1.7629 -1.5226 O.3 1 UNL1 -0.4060 37 C -0.1868 -0.6557 -0.3500 C.ar 1 UNL1 0.1422 38 C 0.9558 0.1416 -0.3037 C.ar 1 UNL1 0.0540 39 H 0.2947 3.2664 -1.4084 H 1 UNL1 0.1905 40 H -3.2223 2.6346 -0.1397 H 1 UNL1 0.1604 41 H 0.2843 3.1755 1.3263 H 1 UNL1 0.1554 42 H -1.2010 1.1673 1.7318 H 1 UNL1 0.1587 43 H 1.0536 -4.4039 1.4008 H 1 UNL1 0.1539 44 H 1.2969 -4.7117 -0.3597 H 1 UNL1 0.1557 45 H -3.9966 0.7254 -1.8932 H 1 UNL1 0.1703 46 H -2.9365 1.8446 -2.7782 H 1 UNL1 0.1812 47 H -2.6626 0.1031 -2.8929 H 1 UNL1 0.1808 48 H -4.3429 -0.8697 -0.7517 H 1 UNL1 0.1696 49 H 2.5174 3.9924 -0.7136 H 1 UNL1 0.1595 50 H 5.1435 -0.1913 0.2545 H 1 UNL1 0.1899 51 H -1.2670 -4.7074 0.2386 H 1 UNL1 0.1498 52 H -4.3038 1.8293 2.3554 H 1 UNL1 0.1459 53 H -5.2760 1.9727 0.8443 H 1 UNL1 0.1203 54 H -5.2328 0.4117 1.7468 H 1 UNL1 0.1461 55 H 6.2746 2.0258 0.0369 H 1 UNL1 0.1530 56 H -5.2257 -3.1646 -0.4515 H 1 UNL1 0.1456 57 H -3.7242 -5.0544 0.0299 H 1 UNL1 0.1494 58 H 4.9861 4.0683 -0.4367 H 1 UNL1 0.1432 @BOND 1 47 16 1 2 46 16 1 3 16 45 1 4 16 1 1 5 36 1 1 6 36 4 1 7 39 4 1 8 1 2 1 9 1 5 1 10 48 8 1 11 4 3 1 12 4 6 1 13 49 9 1 14 2 32 ar 15 2 37 ar 16 8 32 ar 17 8 13 ar 18 9 33 ar 19 9 15 ar 20 3 33 ar 21 3 38 ar 22 32 35 ar 23 56 13 1 24 58 15 1 25 33 34 ar 26 13 14 ar 27 44 22 1 28 37 38 ar 29 37 31 ar 30 15 12 ar 31 38 30 ar 32 35 31 ar 33 35 11 ar 34 40 5 1 35 34 30 ar 36 34 10 ar 37 14 11 ar 38 14 57 1 39 31 28 ar 40 12 55 1 41 12 10 ar 42 30 27 ar 43 11 51 1 44 10 50 1 45 28 27 ar 46 28 22 1 47 27 26 1 48 5 25 1 49 5 7 1 50 23 6 1 51 23 19 1 52 22 29 1 53 22 43 1 54 26 21 2 55 26 29 am 56 6 7 1 57 6 41 1 58 29 18 1 59 25 17 1 60 53 17 1 61 7 42 1 62 7 24 1 63 17 54 1 64 17 52 1 65 24 20 1